dimethyl(2-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl}ethyl)amine

• ChemBase ID: 535579
• Molecular Formular: C14H25N3S
• Molecular Mass: 267.4334
• Monoisotopic Mass: 267.17691882
• SMILES: c1(c(ncs1)C)CN1C(CCN(C)C)CCCC1
• Canonical SMILES: CN(CCC1CCCCN1Cc1scnc1C)C
• InChI: InChI=1S/C14H25N3S/c1-12-14(18-11-15-12)10-17-8-5-4-6-13(17)7-9-16(2)3/h11,13H,4-10H2,1-3H3
• InChIKey: AYIVOPFROLYKGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl}ethyl)amine
• IUPAC Traditional name: dimethyl(2-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl}ethyl)amine
• Synonyms: N,N-dimethyl-2-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidinyl}ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.432819
• LogD (pH = 7.4): -0.8373726
• Log P: 1.8259825
• Molar Refractivity: 78.8814 cm^3
• Polarizability: 30.597572 Å^3
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.53
• LOG S: -1.45
• Polar Surface Area: 19.37 Å^2
• Rotatable Bonds: 5